N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine

C10H15N5OS — CID 114788267

IUPACN-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
SMILESCCNc1nc(SCCOC)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5OS/c1-3-11-10-14-8-7(12-6-13-8)9(15-10)17-5-4-16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyTWRHDLYOZDJZQB-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.52
Rot. Bonds6

About N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine

N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine (PubChem CID 114788267) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
PubChem CID114788267
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine
SMILESCCNc1nc(SCCOC)c2[nH]cnc2n1
InChIInChI=1S/C10H15N5OS/c1-3-11-10-14-8-7(12-6-13-8)9(15-10)17-5-4-16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyTWRHDLYOZDJZQB-UHFFFAOYSA-N
XLogP1.52
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 114783752
2-[[2-(methylamino)-7H-purin-6-yl]sulfanyl]ethanol
CID 114788274
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349
6-(2-chlorophenyl)sulfanyl-N-ethyl-7H-purin-2-amine
CID 114788260
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
N-ethyl-6-(2-methylbutan-2-yloxy)-7H-purin-2-amine
CID 114786811
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
6-N-(3-butoxypropyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114786369
N-ethyl-4-methyl-6-(7H-purin-6-ylsulfanyl)pyrimidin-2-amine
CID 80892125
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine?
The IUPAC name of N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine (CID 114788267) is N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine.
What is the SMILES notation for N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine?
The canonical SMILES for N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine is CCNc1nc(SCCOC)c2[nH]cnc2n1.
What is the InChIKey of N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine?
The InChIKey is TWRHDLYOZDJZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-3-11-10-14-8-7(12-6-13-8)9(15-10)17-5-4-16-2/h6H,3-5H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine?
N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine has a molecular weight of 253.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-methoxyethylsulfanyl)-7H-purin-2-amine is sourced from PubChem (CID 114788267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).